2-[[(4-nitrophenyl)carbonyl-(phenylmethyl)amino]methyl]-N-(phenylmethyl)-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[[(4-nitrophenyl)carbonyl-(phenylmethyl)amino]methyl]-N-(phenylmethyl)-1,3-thiazole-4-carboxamide Openeye Name: N-benzyl-2-[[benzyl-(4-nitrobenzoyl)amino]methyl]thiazole-4-carboxamide CAS Name: 2-[[[(4-nitrophenyl)-oxomethyl]-(phenylmethyl)amino]methyl]-N-(phenylmethyl)-4-thiazolecarboxamide IUPAC Name: N-benzyl-2-[[benzyl-(4-nitrobenzoyl)amino]methyl]-1,3-thiazole-4-carboxamide Traditional Name: N-benzyl-2-[[benzyl-(4-nitrobenzoyl)amino]methyl]thiazole-4-carboxamide Formula: C26H22N4O4S MolecularWeight: 486.54228

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C2=CSC(=N2)CN(CC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C2=CSC(=N2)CN(CC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H22N4O4S/c31-25(27-15-19-7-3-1-4-8-19)23-18-35-24(28-23)17-29(16-20-9-5-2-6-10-20)26(32)21-11-13-22(14-12-21)30(33)34/h1-14,18H,15-17H2,(H,27,31)